Spektraris NMR
ent-14-Labden-3β,8β-diol 13α-[O-β-D-quinovopyranosyl-(1-->2)-α-L-rhamnopyranoside]
![ent-14-Labden-3β,8β-diol 13α-[O-β-D-quinovopyranosyl-(1-->2)-α-L-rhamnopyranoside]](/nmr/static/nmr/svg/15303.svg)
Common Name: ent-14-Labden-3β,8β-diol 13α-[O-β-D-quinovopyranosyl-(1-->2)-α-L-rhamnopyranoside]
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H56O11/c1-9-30(6,13-10-19-31(7)14-12-20(33)29(4,5)18(31)11-15-32(19,8)39)43-28-26(24(37)22(35)17(3)41-28)42-27-25(38)23(36)21(34)16(2)40-27/h9,16-28,33-39H,1,10-15H2,2-8H3/t16-,17+,18-,19+,20+,21-,22+,23+,24-,25-,26-,27+,28+,30+,31-,32-/m1/s1
InChIKey: InChIKey=DMGCQHPKCYGMDF-TXDGQTLXSA-N
Formula: C32H56O11
Molecular Weight: 616.781685
Exact Mass: 616.382263
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Socolsky, C., Asakawa, Y., Bardon, A. J Nat Prod (2007) 70, 1837-45
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Labdanes; 13 C Spectrum from Naproc 13: José Luis López-Pérez, Roberto Therón, Esther del Olmo, David Díaz: NAPROC-13: a database for the dereplication of natural product mixtures in bioassay-guided protocols. Bioinformatics 23(23):3256-3257 (2007)
Carbon NMR Peaks
| Position | PPM |
|---|---|
| 1 (CH2) | 38.9 |
| 2 (CH2) | 27.6 |
| 3 (CH) | 79.8 |
| 4 (C) | 39.9 |
| 5 (CH) | 56.5 |
| 6 (CH2) | 19.3 |
| 7 (CH2) | 43.2 |
| 8 (C) | 73.7 |
| 9 (CH) | 60.6 |
| 10 (C) | 40.1 |
| 11 (CH2) | 20.2 |
| 12 (CH2) | 47.1 |
| 13 (C) | 81.1 |
| 14 (CH) | 143.9 |
| 15 (CH2) | 116 |
| 16 (CH3) | 22.8 |
| 17 (CH3) | 30.9 |
| 18 (CH3) | 28.8 |
| 19 (CH3) | 16.2 |
| 20 (CH3) | 15.8 |
| 1' (CH) | 96 |
| 2' (CH) | 83.6 |
| 3' (CH) | 72.3 |
| 4' (CH) | 74.6 |
| 5' (CH) | 69.5 |
| 6' (CH3) | 18 |
| 1'' (CH) | 106.7 |
| 2'' (CH) | 75.6 |
| 3'' (CH) | 77.7 |
| 4'' (CH) | 76.8 |
| 5'' (CH) | 73.3 |
| 6'' (CH3) | 18.2 |
